CID 72222621

4-formyl-3-hydroxy-n-methylbenzamide

Structural Information

Molecular Formula
C9H9NO3
SMILES
CNC(=O)C1=CC(=C(C=C1)C=O)O
InChI
InChI=1S/C9H9NO3/c1-10-9(13)6-2-3-7(5-11)8(12)4-6/h2-5,12H,1H3,(H,10,13)
InChIKey
XVRCCEOBXWTTFG-UHFFFAOYSA-N
Compound name
4-formyl-3-hydroxy-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

179.05824 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.065516 135.0
[M+Na]+ 202.047458 143.2
[M-H]- 178.050964 138.0
[M+NH4]+ 197.092063 154.3
[M+K]+ 218.021398 141.3
[M+H-H2O]+ 162.055500 129.4
[M+HCOO]- 224.056441 159.2
[M+CH3COO]- 238.072091 180.5
[M+Na-2H]- 200.032906 140.4
[M]+ 179.05769142 135.2
[M]- 179.05878858 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe